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Re: helical ribbon
- To: Claudio Ferrero <ferrero@esrf.fr>
- Subject: Re: helical ribbon
- From: "Dr. H.K. Sahu" <hks@igcar.ernet.in>
- Date: Tue, 18 Nov 2003 13:33:41 +0530 (IST)
- Cc: sa_scat@iucr.org
- In-Reply-To: <3.0.6.32.20031105000608.014a06c0@mailserv.esrf.fr>
Dear Dr. Ferrero I have amde an attemp to derive the form factor of a helical ribbon. I assume that the form factor is meant for X-ray scattering i.e. the electron distribution is what scatters; but it should be equally suitable for neutron scattering too. Further, it could be taken that the charge is distributed unifromly on the ribbon or located only at the edges as in a DNA double helix. I give the form factor of the two cases separately, easier one first. Case I. ======= It is a double helix with the charge only at the edges, the formula is simple. Assume that the charges extend from R1 to R2 from the mid axis of the double helix ( Clearly 2.R2 is the width of the ribbon) . Then P(q) = Integral(0 to 1) of [ F1(q,R1.sqrt(1-x^2),R2.sqrt(1-x^2)). F2(qLx/2) ] dx where L is the length of the helical ribbon, F1 & F2 are given as F1(q,a,b) = {2/(q.(a^2 - b^2))}.{a*J_sub_1(qa) - b*J_sub_1(qb)}, F2(u) = sin(u)/u with J_sub_1(x) is the Bessel function of order 1. J's are available in almost all scientific libraries or can be evaluated as a series sum as J_sub_n (x) = (x/2)^n . sum(k=0 to inf) [{(-x^2/4)^k} / k! Gamma(n+k+1)}] which in the case of n=1 becomes J_sub_1 (x) = (x/2)^n . sum(k=0 to inf) [[{(-x^2/4)^k) / (k+1)!]. Note that this has already been averaged over all orientations of the helix about the axis. Thus, this is same as the form factor for the hollow cylinder of length L and radii R1 and R2. Case II. ======= The charge is unifromly distributed over the ribbon. Here it is not proper to take an approach of the former case because the ribbon averaged over angles about the axis is not a solid cylinder. But the form factor without the above averaging can be derived from the geometric definition of the helical ribbon. Consider a flat ribbon of length L and width 2a. Twist it uniformly by a total angle of {2n.pi + beta} over the length L. The define c = {2n.pi + b}/L. Thus, L = {2n.pi/c} + b/c, indicating n complete twists and a fraction b/2pi to constitute the helix . The form factor is then given by P(q_vector) = {2/(c.q_rho)} . [ {sin(q3.pi.n/c)/sin(q3.Pi/c)}.exp{(n-1).pi.q3/c}.M(q3/c,a.q_rho,2pi)} + {exp(i.2pi.n.q3/c).M(q3/c,a.q_rho,b)} ] where q_vector is the vector q (= (q1,q2,q3)), r_rho=sqrt(q1^2 + q2^2), i=sqrt(-1) and the integral function M is defined as M(p,q,r) = integral(0 to r) [ {exp(i.p.u).sin(q.cos(u))/cos(u)}du ] which on simplification, gives M(p,q,2pi)=(1 + exp(i.p.pi)).integral(0 to pi/2)[ {exp(i.p.u)+exp(i.p.(pi-u))}. {sin(q.cos(u))/cos(u)} ] It may appear that the integrand diverges at pi/2 because of the cos(u) in the denominator, but actually in this limit {sin(q.cos(u))/cos(u)} is just q and there should not be any divergence. There may be some simplification possible but anyway these can be numerically evaluated. In case I can simplify further I shall inform. Also if some one else has sent you other formulae would you please send those to me along with the e-mail address of the authors so that I can interact with them. Hope this mail is useful to you. With regards Sincerely yours H. K. Sahu On Wed, 5 Nov 2003, Claudio Ferrero wrote: > Dear All, > > could somebody help me in finding out the expression of the form factor > P(q) of an object with the shape of a helical ribbon ? > > Many thanks in advance for your kind answers > > Caudio Ferrero > *---------------------------------------*-----------------------------------* > | | | > |Dr. Claudio Ferrero | _ _ _ _ /\ | > |Head of the | |_ |_ |_| |_ /**\ /\ | > |Scientific Software Service | |_ _| |\ | /****\ /**\ | > |European Synchrotron Radiation Facility| /\ /**** \/ ***\ | > |Boite Postale 220 | /\ /**\ /*** / ***\ | > |F - 38043 Grenoble cedex | /**\/*** \/ / \| > |France | /* _______\______/__________| > | | /_________________________| > |Direct Line: +33 (0)4 76 88 23 70 | |_|_|_|_|_|_|_|_|_|_|_|_| > |Fax: +33 (0)4 76 88 25 42 | |_______________________| > | | |_|_|_|_|_|_|_|_|_|_|_|_| > |Email: ferrero@esrf.fr | |_______________________| > | | | > *---------------------------------------*-----------------------------------* > > _______________________________________________ > sa_scat mailing list > sa_scat@iucr.org > http://scripts.iucr.org/mailman/listinfo/sa_scat > -- ********************************************************************** * Dr. H. K. Sahu * * OFFICE RESIDENCE * ********************************************************************** * Scientific Officer (G) * 10 Fifth Avenue * * Small Angle X-ray Scattering Laboratory * * * Materials Science Division * Kalpakkam 603 102 * * Indira Gandhi Centre for Atomic Research* Tamil Nadu * * Kalpakkam 603 102 Tamil Nadu, INDIA * INDIA * * Telephone: +91 +4114 280347 * +91 +4114 281559 * * Fax : +91 +4114 280081 * * * Local Intrcom 2350 * Intrcom 4350 * * E - Mail : hks@igcar.ernet.in * hks01@rediffmail.com * ********************************************************************** _______________________________________________ sa_scat mailing list sa_scat@iucr.org http://scripts.iucr.org/mailman/listinfo/sa_scat
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